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2-HYDROXY-(22-27)-HEXANORCUCURBITA-1,5,16-TRIENE-3,11,20-TRIONE_2-O-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID 6xaCtX9IHr2
InChI InChI=1S/C30H40O9/c1-14(32)15-9-10-28(4)20-8-7-16-17(30(20,6)21(33)12-29(15,28)5)11-18(25(37)27(16,2)3)38-26-24(36)23(35)22(34)19(13-31)39-26/h7,9,11,17,19-20,22-24,26,31,34-36H,8,10,12-13H2,1-6H3/t17-,19+,20+,22+,23-,24+,26+,28+,29-,30+/m1/s1
InChIKey IWCKWAIXWURPAN-IJYVSKKKSA-N
Mol Weight 544.6 g/mol
Molecular Formula C30H40O9
Exact Mass 544.267233 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CrwDwgEmHrJ
Name 2-HYDROXY-(22-27)-HEXANORCUCURBITA-1,5,16-TRIENE-3,11,20-TRIONE_2-O-BETA-D-GLUCOPYRANOSIDE
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H40O9
InChI InChI=1S/C30H40O9/c1-14(32)15-9-10-28(4)20-8-7-16-17(30(20,6)21(33)12-29(15,28)5)11-18(25(37)27(16,2)3)38-26-24(36)23(35)22(34)19(13-31)39-26/h7,9,11,17,19-20,22-24,26,31,34-36H,8,10,12-13H2,1-6H3/t17-,19+,20+,22+,23-,24+,26+,28+,29-,30+/m1/s1
InChIKey IWCKWAIXWURPAN-IJYVSKKKSA-N
Literature Reference Author M.GAN,M.LIU,B.LIU,S.LIN,Y.ZHANG,J.ZI,W.SONG,F.YE,X.CHEN,J.SH I
Literature Reference Citation J.NAT.PROD.,74,2431(2011)
Literature Reference DOI 10.1021/np200706n
Molecular Weight 544.642 g/mol
Sample ID 39562
Solvent DMSO-D6